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- PDB-2mb3: Solution structure of an intramolecular (3+1) human telomeric G-q... -
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Basic information
Entry | Database: PDB / ID: 2mb3 | ||||||||||||||||||||
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Title | Solution structure of an intramolecular (3+1) human telomeric G-quadruplex bound to a telomestatin derivative | ||||||||||||||||||||
![]() | DNA_(5'-D(*![]() DNA/DNA INHIBITOR / intramolecular G-quadruplex / human telomere / anticancer targets / macrocyclic hexaoxazole / telomestatin derivative / DNA-DNA INHIBITOR complex | Function / homology | Chem-L2H / DNA / DNA (> 10) | ![]() Method | SOLUTION NMR / DGSA-distance geometry simulated annealing, simulated annealing, molecular dynamics | Model details | lowest energy, model1 | ![]() Chung, W.J. / Heddi, B. / Tera, M. / Iida, K. / Nagasawa, K. / Phan, A.T. | ![]() ![]() Title: Solution structure of an intramolecular (3 + 1) human telomeric g-quadruplex bound to a telomestatin derivative. Authors: Chung, W.J. / Heddi, B. / Tera, M. / Iida, K. / Nagasawa, K. / Phan, A.T. History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 168 KB | Display | ![]() |
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PDB format | ![]() | 141.8 KB | Display | ![]() |
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-Validation report
Summary document | ![]() | 547.1 KB | Display | ![]() |
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Full document | ![]() | 616.1 KB | Display | |
Data in XML | ![]() | 12.5 KB | Display | |
Data in CIF | ![]() | 15.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Assembly
Deposited unit | ![]()
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NMR ensembles |
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Components
#1: DNA chain | Mass: 7591.883 Da / Num. of mol.: 1 / Source method: obtained synthetically |
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#2: Chemical | ChemComp-L2H / ( |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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NMR experiment |
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Sample preparation
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-NMR measurement
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Processing
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Refinement | Method: DGSA-distance geometry simulated annealing, simulated annealing, molecular dynamics Software ordinal: 1 | ||||||||||||||||||||||||
NMR constraints | NOE constraints total: 579 / NOE intraresidue total count: 279 | ||||||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 10 |